SCHEMBL7361007

SCHEMBL7361007

COc1ccc(/C=C/[N+](=O)[O-])cc1OC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.70
SYK P43405 2/20 0.58
GALR2 O43603 1/20 0.58
ALDH1A1 P00352 1/20 0.58
EGFR P00533 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PDE4B Q07343 10/20 0.58
PDE4D Q08499 2/20 0.55
PDE4A P27815 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE3A Q14432 1/20 0.50
CYP19A1 P11511 1/20 0.49
PTGS2 P35354 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4891193 1.00 VCP (0.70) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL7390829 0.95 VCP (0.70) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL7355608 0.95 VCP (0.70) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL13677650 0.86 VCP (0.52) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL13677860 0.83 TLR4 (0.54) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL29727003 0.83 VCP (1.00) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL807768 0.83 VCP (1.00) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL793160 0.83 VCP (1.00) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL7398936 0.83 VCP (0.52) VCPSYKGALR2ALDH1A1EGFR
SCHEMBL7358653 0.83 VCP (0.49) VCPSYKGALR2ALDH1A1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-5710180-A TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed
EP-0714397-A4 1996-06-26 EP disclosed
EP-0714397-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP disclosed
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
WO-1995005386-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-02-23 WO disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY PREP, DHPS, PDCD11 VCP 1237/4885SYK 4104/4885GALR2 4792/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.